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Monoclinic polymorph of 2,5-dideoxy-2,5-epithio-1,3:4,6-bis-O-[(R)-phenylmethylene]-l-iditol
The title compound C(20)H(20)O(4)S, is polymorphic. In the tetragonal form, the molecule lies on a crystallographic twofold axis, while the monoclinic form has only approximate C (2) molecular symmetry. The greatest excursion from C (2) symmetry is in the orientation of the two phenyl rings; at 1...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435692/ https://www.ncbi.nlm.nih.gov/pubmed/22969563 http://dx.doi.org/10.1107/S1600536812034514 |
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author | Gibson, Jerrell G. Cho, Jung Young Fronczek, Frank R. Watkins, Steven F. |
author_facet | Gibson, Jerrell G. Cho, Jung Young Fronczek, Frank R. Watkins, Steven F. |
author_sort | Gibson, Jerrell G. |
collection | PubMed |
description | The title compound C(20)H(20)O(4)S, is polymorphic. In the tetragonal form, the molecule lies on a crystallographic twofold axis, while the monoclinic form has only approximate C (2) molecular symmetry. The greatest excursion from C (2) symmetry is in the orientation of the two phenyl rings; at 100 K, one of the rings is rotated −37.2 (3)° and the other by 46.9 (3)° from their symmetric (tetragonal) positions. There are only minor differences in the three-ring nucleus; the best molecular fit of the tetragonal and monoclinic forms, both at 100 K and excluding phenyl rings and H atoms, shows an r.m.s. deviation of 0.066 Å. Both forms have the same absolute configuration. |
format | Online Article Text |
id | pubmed-3435692 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-34356922012-09-11 Monoclinic polymorph of 2,5-dideoxy-2,5-epithio-1,3:4,6-bis-O-[(R)-phenylmethylene]-l-iditol Gibson, Jerrell G. Cho, Jung Young Fronczek, Frank R. Watkins, Steven F. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound C(20)H(20)O(4)S, is polymorphic. In the tetragonal form, the molecule lies on a crystallographic twofold axis, while the monoclinic form has only approximate C (2) molecular symmetry. The greatest excursion from C (2) symmetry is in the orientation of the two phenyl rings; at 100 K, one of the rings is rotated −37.2 (3)° and the other by 46.9 (3)° from their symmetric (tetragonal) positions. There are only minor differences in the three-ring nucleus; the best molecular fit of the tetragonal and monoclinic forms, both at 100 K and excluding phenyl rings and H atoms, shows an r.m.s. deviation of 0.066 Å. Both forms have the same absolute configuration. International Union of Crystallography 2012-08-11 /pmc/articles/PMC3435692/ /pubmed/22969563 http://dx.doi.org/10.1107/S1600536812034514 Text en © Gibson et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Gibson, Jerrell G. Cho, Jung Young Fronczek, Frank R. Watkins, Steven F. Monoclinic polymorph of 2,5-dideoxy-2,5-epithio-1,3:4,6-bis-O-[(R)-phenylmethylene]-l-iditol |
title | Monoclinic polymorph of 2,5-dideoxy-2,5-epithio-1,3:4,6-bis-O-[(R)-phenylmethylene]-l-iditol
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title_full | Monoclinic polymorph of 2,5-dideoxy-2,5-epithio-1,3:4,6-bis-O-[(R)-phenylmethylene]-l-iditol
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title_fullStr | Monoclinic polymorph of 2,5-dideoxy-2,5-epithio-1,3:4,6-bis-O-[(R)-phenylmethylene]-l-iditol
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title_full_unstemmed | Monoclinic polymorph of 2,5-dideoxy-2,5-epithio-1,3:4,6-bis-O-[(R)-phenylmethylene]-l-iditol
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title_short | Monoclinic polymorph of 2,5-dideoxy-2,5-epithio-1,3:4,6-bis-O-[(R)-phenylmethylene]-l-iditol
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title_sort | monoclinic polymorph of 2,5-dideoxy-2,5-epithio-1,3:4,6-bis-o-[(r)-phenylmethylene]-l-iditol |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435692/ https://www.ncbi.nlm.nih.gov/pubmed/22969563 http://dx.doi.org/10.1107/S1600536812034514 |
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